4-(4-氟萘-1-基)-1,3-噻唑-2-胺 | 650626-11-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-(4-氟萘-1-基)-1,3-噻唑-2-胺
• 英文名称: 4-(4-fluoro-naphthalen-1-yl)-thiazol-2-ylamine
• 英文别名: 2-amino-4-(4-fluoronaphthalen-1-yl)thiazole；2-amino-4-[4-fluoronaphth-1-yl]thiazole；4-[1-(4-fluoro)naphthyl]aminothiazole；4-(4-Fluoronaphthalen-1-yl)-1,3-thiazol-2-amine
• CAS: 650626-11-2
• 化学式: C₁₃H₉FN₂S
• 分子量: 244.292
• InChiKey: FZIDUVOCOYBHST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-氟萘-1-基)-1,3-噻唑-2-胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 1.17h， 以60%的产率得到
  参考文献：
  名称：

  [EN] HETEROCYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF
  [FR] MODULATEURS HETEROCYCLIQUES DU RECEPTEUR GLUCOCORTICOIDE AP-1, ET/OU ACTIVITE NF-20050811US5569655ADORITY JR JOHN A [US], et al19961029AASee references of EP 1711488A4

  摘要：

  提供了一种新型的非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫性疾病，并具有如下结构的化学式（I）或其立体异构体、前药、溶剂合物或其药用可接受的盐，其中A、B、J、K、Z、R、Ra、Rb、Rc和Rd在此有所定义。还提供了包含该化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。

  公开号：

  WO2005073221A1
• 作为产物：
  描述：

  4-Fluor-ο-brom-1-acetonaphthon 、 硫脲 以 乙醇 为溶剂， 反应 1.0h， 以75%的产率得到4-(4-氟萘-1-基)-1,3-噻唑-2-胺
  参考文献：
  名称：

  [EN] MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF
  [FR] MODULATEURS DU RECEPTEUR DES GLUCOCORTICOIDES AP-1, ET/OU DE L'ACTIVITE DU NF-KB ET UTILISATION ASSOCIEE

  摘要：

  提供了一种新型的非类固醇化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF­ KB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫性疾病，其结构如下式（I），其立体异构体，或其溶剂化物，或其前药，或其药用可接受的盐，其中Z为CONR1R2或CH2 NR1R2，其中R、R'、Ra、Rb、Rc、Rd、Z、A和B在此处定义。还提供了含有该化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。

  公开号：

  WO2005072729A1

文献信息

• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof
  申请人：Duan Jingwu

  公开号：US20070185056A1

  公开（公告）日：2007-08-09

  Novel non-steroidal compounds are provided that are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases having the structure of formula (I): or enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, where X is -A 1 QA 2 -; Q is a bond, —C(═O)—, —OC(O)—, —C(═O)NR 5 —, —SO p —, —SO p NR 5 —, —C(O)O—, —NR 5 C(O)—, —OC(O)NR 5 —, —NR 5 C(O)O—, —S(O) p NR 5 C(O)—, —C(O)NR 5 S(O) p — —NR 5 S(O) p —, or —NR 5 C(═O)NR 6 —. Y is selected from hydrogen, C 1-4 alkyl, OR 16 , substituted C 1-6 alkyl, cycloalkyl, aryl, heterocyclo and heteroaryl. A 1 and A 2 are independently selected from a bond, C 1-3 alkylene, or C 1-3 alkenylene, and R 1 -R 11 are defined herein. Also provided are pharmaceutical compositions, combinations, and methods of treating obesity, diabetes and inflammatory- or immune-associated diseases comprising said compounds.

  提供了一种新型的非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症性和免疫性疾病，其具有以下结构的化学式（I）： 或其对映体、非对映体、药用可接受的盐或水合物，其中X为-A 1 QA 2 -；Q为键，—C(═O)—，—OC(O)—，—C(═O)NR 5 —，—SO p —，—SO p NR 5 —，—C(O)O—，—NR 5 C(O)—，—OC(O)NR 5 —，—NR 5 C(O)O—，—S(O) p NR 5 C(O)—，—C(O)NR 5 S(O) p —，—NR 5 S(O) p —，或—NR 5 C(═O)NR 6 —。Y从氢、C 1-4 烷基、OR 16 、取代的C 1-6 烷基、环烷基、芳基、杂环烷基和杂芳基中选择。A 1 和A 2 独立选择自键、C 1-3 烷基或C 1-3 烯基，R 1 -R 11 在此定义。还提供了包含所述化合物的药物组合物、组合物和治疗肥胖、糖尿病和炎症性或免疫相关疾病的方法。
• [EN] MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF<br/>[FR] MODULATEURS DU RECEPTEUR GLUCOCORTICOIDE AP-1, ET/OU DE L'ACTIVITE DE NF- DOLLAR G(K)B, ET LEUR UTILISATION
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005072732A1

  公开（公告）日：2005-08-11

  A class of novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-ĸB activity including obesity, diabetes, inflammatory and immune diseases, and have the structure of formula (I) its stereoisomers thereof, or a solvate thereof, or a prodrug thereof, or a pharmaceutically acceptable salt thereof, where Z is CONR1R2 or CH2NR1R2 and where at least one of X1 - X8 is N, and R, Ra, Rb, Rc and Rd are defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  提供了一类新型非类固醇化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-ĸB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫性疾病，其结构如公式（I）所示，其立体异构体，或其溶剂化物，或其前药，或其药用可接受盐，其中Z为CONR1R2或CH2NR1R2，其中至少一个X1-X8为N，R、Ra、Rb、Rc和Rd在此处定义。还提供了包含所述化合物的药物组合物和治疗肥胖、糖尿病和炎症或免疫相关疾病的方法。
• Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof
  申请人：Weinstein S. David

  公开号：US20050187242A1

  公开（公告）日：2005-08-25

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases, and have the structure of formula (I) or stereoisomers or prodrugs or pharmaceutically acceptable salts thereof, wherein B, J, K, Z, R, R a , R b , R c , R d , R q , R w , m and n are defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  提供了一种新型的非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫性疾病，并具有以下结构的化学式（I）或其立体异构体或前药或其药用可接受盐，其中B、J、K、Z、R、Ra、Rb、Rc、Rd、Rq、Rw、m和n在此处被定义。还提供了包含所述化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。
• Modulators of the glucocorticoid receptor, AP-1, and/or NF-kappaB activity and use thereof
  申请人：Duan Jingwu

  公开号：US20050176716A1

  公开（公告）日：2005-08-11

  A class of novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases, and have the structure of formula (I) its stereoisomers thereof, or a solvate thereof, or a prodrug thereof, or a pharmaceutically acceptable salt thereof, where Z is CONR 1 R 2 or CH 2 NR 1 R 2 and where at least two of X 1 -X 4 and/or X 5 -X 8 is N or NR 18 , and R, R a , R b , R c , R d , R 1 , R 2 and R 18 are defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  提供一类新型非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症性和免疫性疾病，其结构如下所示：（I）及其立体异构体，或其溶剂化合物，或其前药，或其药理学上可接受的盐，其中Z是CONR1R2或CH2NR1R2，至少两个X1-X4和/或X5-X8是N或NR18，R、Ra、Rb、Rc、Rd、R1、R2和R18在此有所定义。还提供了包含这些化合物的药物组合物和治疗肥胖、糖尿病以及炎症性或免疫相关疾病的方法。